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6-tert-Butyl-2-phenyl-4-(trifluoromethyl)-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one
SpectraBase Compound ID I44rq6x0s6T
InChI InChI=1S/C17H16F3N3O/c1-16(2,3)12-9-11(17(18,19)20)13-14(21-12)22-23(15(13)24)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,21,22)
InChIKey NEPOQKKNCNVYNR-UHFFFAOYSA-N
Mol Weight 335.33 g/mol
Molecular Formula C17H16F3N3O
Exact Mass 335.124547 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 464p6n1mLGj
Name 6-tert-Butyl-2-phenyl-4-(trifluoromethyl)-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one
Alternate Name(s) 6-tert-Butyl-2-phenyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3-one Pyrazolo[3,4-b]pyridin-3(2H)-one, 6-tert-butyl-4-trifluoromethyl-2-phenyl-
CAS Registry Number 309740-18-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16F3N3O
InChI InChI=1S/C17H16F3N3O/c1-16(2,3)12-9-11(17(18,19)20)13-14(21-12)22-23(15(13)24)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,21,22)
InChIKey NEPOQKKNCNVYNR-UHFFFAOYSA-N
Molecular Weight 335.330 g/mol
SMILES N1c2c(C(N1c1ccccc1)=O)c(cc(n2)C(C)(C)C)C(F)(F)F
SPLASH splash10-000i-3239000000-b72da464ca0a1e8c4097
Source of Spectrum AD-0-2532-0
Wiley ID 1432431